Geometry & MOs

Info

ID:	18075
PubChem CID:	536636
Reduced:	OC27H42 (1)
Stoich.:	AB27C42 (1)
Weight, g/mol:	382.323566
ΔH_f, kcal/mol:	-106.94
Dipole, Da:	2.27
IP(EA), eV:	-8.59(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,13-dimethyl-17-(6-methylheptan-2-yl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1C3CCC4(C(C3CC2)CCC4C(C)CCCC(C)C)C)O

DOS

IR

Vibrations